Predicted ligand sequences


ADAN-name: 2JMA2.PDB (view again the scoring matrix)

PDB name: [2JMA.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P S Y S P P P P P
position 1 2 3 4 5 6 7 8 9 10
poly-Ala A A
A
A
A
A
 A
A
 A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 3.930 ΔGbinding -12.210
TOTAL
 -8.280
Backbone Hb -0.680 Cis_bond 0.000
Sidechain Hb -2.030 Torsional clash 0.010
Van der Waals -7.930 Backbone clash 0.480
Electrostatics -0.240 Helix dipole 0.000
Solvation Polar 6.420 Water bridges -0.570
Solvation Hyd -11.370 Disulfide 0.000
VdW clashes 0.360 Electrost. Kon -0.050
Entropy sc 2.190 Part.cov.bonds 0.000
Entropy mc

1.670

 ΔGstability

6.330
       

Predicted ligand sequences for template [2JMA2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  2JMA2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PHRYKHPGPR 0.0
2 PPRYKHPGPR 0.0
3 PTRYKHPGPR 0.01
4 PPRYKHPTPR 0.04
5 PHRYKHPTPR 0.04
6 PTRYKHPTPR 0.05
7 PPRYKHPFPR 0.05
8 PTRYKHPFPR 0.06
9 PHRYKHPFPR 0.06
10 PPRYKHPGMR 0.09
11 PHRYKHPGMR 0.09
12 PPHYKHPGPR 0.1
13 PHHYKHPGPR 0.1
14 PTRYKHPGMR 0.1
15 PTHYKHPGPR 0.11
16 PHRYKHPTMR 0.13
17 PPRYKHPTMR 0.13
18 PHHYKHPTPR 0.14
19 PTRYKHPTMR 0.14
20 PPHYKHPTPR 0.14
21 PPRYKHPFMR 0.14
22 PHRYKHPFMR 0.15
23 PTRYKHPFMR 0.15
24 PTHYKHPTPR 0.15
25 PPHYKHPFPR 0.15
26 PHHYKHPFPR 0.16
27 PTHYKHPFPR 0.16
28 PHHYKHPGMR 0.19
29 PPHYKHPGMR 0.19
30 PTHYKHPGMR 0.2
31 PHGYKHPGPR 0.21
32 PPGYKHPGPR 0.21
33 CTRYKHPGPR 0.22
34 CHRYKHPGPR 0.22
35 CPRYKHPGPR 0.22
36 APRYKHPGPR 0.22
37 PTGYKHPGPR 0.22
38 AHRYKHPGPR 0.23
39 PHHYKHPTMR 0.23
40 PPHYKHPTMR 0.23
41 ATRYKHPGPR 0.23
42 PTHYKHPTMR 0.24
43 PPHYKHPFMR 0.24
44 PTHYKHPFMR 0.25
45 PHGYKHPTPR 0.25
46 PHHYKHPFMR 0.25
47 PPGYKHPTPR 0.25
48 PPRYKHIGPR 0.26
49 CHRYKHPTPR 0.26
50 PTGYKHPTPR 0.26
51 APRYKHPTPR 0.26
52 CTRYKHPTPR 0.26
53 CPRYKHPTPR 0.26
54 PPGYKHPFPR 0.26
55 PHRYKHPGPP 0.26
56 PPRYKHPGPP 0.26
57 ATRYKHPTPR 0.27
58 CHRYKHPFPR 0.27
59 CPRYKHPFPR 0.27
60 PTRYKHPGPP 0.27
61 PTRYKHIGPR 0.27
62 PHRYKHIGPR 0.27
63 PHGYKHPFPR 0.27
64 PTGYKHPFPR 0.27
65 AHRYKHPTPR 0.27
66 CTRYKHPFPR 0.28
67 ATRYKHPFPR 0.28
68 APRYKHPFPR 0.28
69 AHRYKHPFPR 0.28
70 PPGYKHPGMR 0.3
71 PTRYKHPTPP 0.3
72 PPRYKHPTPP 0.3
73 PHRYKHPTPP 0.3
74 PPRYKHITPR 0.3
75 PHGYKHPGMR 0.3
76 CPRYKHPGMR 0.31
77 PHRYKHITPR 0.31
78 CTRYKHPGMR 0.31
79 APRYKHPGMR 0.31
80 PTGYKHPGMR 0.31
81 CHRYKHPGMR 0.31
82 PPRYKHPFPP 0.31
83 PTRYKHITPR 0.31
84 AHRYKHPGMR 0.32
85 PPRYKHIFPR 0.32
86 CHHYKHPGPR 0.32
87 PTRYKHPFPP 0.32
88 ATRYKHPGMR 0.32
89 CTHYKHPGPR 0.32
90 PTRYKHIFPR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PPRYKHPGMR

6.01

-16.64

-10.63
2 PPHYKHPGMR

6.15

-16.69

-10.54
3 PPHYKHPGPR

5.77

-16.22

-10.45
4 PPRYKHPFPR

5.86

-15.96

-10.1
5 PHRYKHPFPR

5.29

-15.16

-9.87
6 PPRYKHPGPR

6.17

-16.01

-9.84
7 PTRYKHPTPR

5.34

-15.0

-9.66
8 PPRYKHPTMR

6.08

-15.58

-9.5
9 PTHYKHPTPR

5.33

-14.64

-9.31
10 PPRYKHPFMR

6.46

-15.76

-9.3
11 PPHYKHPFPR

6.0

-15.29

-9.29
12 PTRYKHPFPR

5.5

-14.75

-9.25
13 PPHYKHPTPR

6.21

-15.41

-9.2
14 PPRYKHPTPR

6.74

-15.91

-9.17
15 PTHYKHPGMR

5.71

-14.87

-9.16
16 PTRYKHPGMR

5.52

-14.61

-9.09
17 PHHYKHPGPR

5.26

-14.32

-9.06
18 PTRYKHPTMR

5.54

-14.44

-8.9
19 PTHYKHPGPR

5.44

-14.23

-8.79
20 PHHYKHPTPR

5.31

-14.02

-8.71
21 PHRYKHPTPR

5.26

-13.81

-8.55
22 PHRYKHPGPR

5.42

-13.78

-8.36
23 PTRYKHPGPR

5.49

-13.81

-8.32
24 PHRYKHPTMR

5.5

-13.55

-8.05
25 PTRYKHPFMR

5.47

-13.39

-7.92
26 PTHYKHPFPR

5.38

-13.3

-7.92
27 PHHYKHPFPR

5.39

-13.23

-7.84
28 PHRYKHPGMR

5.52

-13.35

-7.83
29 PHHYKHPGMR

5.73

-13.37

-7.64
30 PHRYKHPFMR

5.47

-12.26

-6.79

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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